Geometry & MOs

Info

ID:	197584
PubChem CID:	78979333
Reduced:	ClSO2N3C10H14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	253.052112
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	9.81
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC(=C(S2)C(=O)O)Cl

DOS

IR

Vibrations